REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1nwv_1_A DATA FIRST_RESID 61 DATA SEQUENCE FRScEVPTRL NSASLKQPYI TQNYFPVGTV VEYEcRPGYR REPSLSPKLT DATA SEQUENCE cLQNLKWSTA VEFcKKKScP NPGEIRNGQI DVPGGILFGA TISFScNTGY DATA SEQUENCE KLFGSTSSFc LISGSSVQWS DPLPEcREH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 61 F HA 0.000 4.525 4.527 -0.003 0.000 0.279 61 F C 0.000 175.833 175.800 0.054 0.000 0.967 61 F CA 0.000 58.005 58.000 0.008 0.000 1.383 61 F CB 0.000 39.004 39.000 0.007 0.000 1.145 62 R N 0.267 120.875 120.500 0.181 0.000 2.450 62 R HA 0.135 4.501 4.340 0.044 0.000 0.149 62 R C -0.769 175.648 176.300 0.194 0.000 1.895 62 R CA -0.433 55.753 56.100 0.143 0.000 1.488 62 R CB 1.113 31.528 30.300 0.193 0.000 1.316 62 R HN -0.242 8.162 8.270 0.224 0.000 0.474 63 S N -1.220 114.595 115.700 0.192 0.000 3.547 63 S HA -0.364 4.212 4.470 0.176 0.000 0.832 63 S C -0.808 173.924 174.600 0.220 0.000 1.254 63 S CA 0.304 58.645 58.200 0.234 0.000 0.991 63 S CB 0.368 63.815 63.200 0.413 0.000 0.544 63 S HN -0.173 8.233 8.310 0.160 0.000 0.369 64 c N 4.309 123.058 118.600 0.248 0.000 2.593 64 c HA -0.026 4.714 4.570 0.284 0.000 0.409 64 c C 0.209 174.538 174.090 0.398 0.000 1.304 64 c CA 0.983 57.531 56.329 0.364 0.000 2.007 64 c CB 0.428 43.177 42.510 0.399 0.000 2.614 64 c HN 0.281 8.552 8.230 0.256 0.112 0.585 65 E N 5.122 125.528 120.200 0.344 0.000 2.961 65 E HA 0.067 4.433 4.350 0.027 0.000 0.254 65 E C -0.102 176.533 176.600 0.059 0.000 1.192 65 E CA -1.241 55.234 56.400 0.124 0.000 1.069 65 E CB 1.290 31.031 29.700 0.068 0.000 1.338 65 E HN 0.283 8.891 8.360 0.412 0.000 0.596 66 V N 1.934 121.822 119.914 -0.044 0.000 2.699 66 V HA -0.255 3.792 4.120 -0.122 0.000 0.296 66 V C -1.987 173.976 176.094 -0.218 0.000 1.030 66 V CA -0.432 61.801 62.300 -0.112 0.000 1.219 66 V CB 0.212 31.982 31.823 -0.088 0.000 0.848 66 V HN 0.028 8.189 8.190 -0.049 0.000 0.468 67 P HA 0.087 3.630 4.420 -1.462 0.000 0.272 67 P C -1.131 175.891 177.300 -0.463 0.000 1.248 67 P CA -0.206 62.377 63.100 -0.861 0.000 0.799 67 P CB 0.726 31.833 31.700 -0.989 0.000 0.997 68 T N -0.207 114.097 114.554 -0.417 0.000 2.903 68 T HA -0.223 4.087 4.350 -0.065 0.000 0.314 68 T C -0.963 173.747 174.700 0.017 0.000 1.078 68 T CA 1.462 63.513 62.100 -0.080 0.000 1.114 68 T CB 0.381 69.293 68.868 0.074 0.000 0.987 68 T HN -0.094 7.733 8.240 -0.688 0.000 0.548 69 R N 4.442 124.945 120.500 0.006 0.000 2.476 69 R HA 0.215 4.565 4.340 0.017 0.000 0.305 69 R C -1.130 175.139 176.300 -0.053 0.000 0.965 69 R CA -0.782 55.310 56.100 -0.015 0.000 0.867 69 R CB 1.829 32.109 30.300 -0.034 0.000 1.176 69 R HN 0.165 8.437 8.270 0.002 0.000 0.447 70 L N 3.865 125.016 121.223 -0.121 0.000 2.298 70 L HA 0.331 4.622 4.340 -0.082 0.000 0.268 70 L C 1.023 177.809 176.870 -0.140 0.000 1.010 70 L CA -1.742 53.017 54.840 -0.135 0.000 0.812 70 L CB 2.168 44.107 42.059 -0.200 0.000 1.331 70 L HN -0.147 8.000 8.230 -0.137 0.000 0.450 71 N N 0.996 119.622 118.700 -0.123 0.000 2.334 71 N HA -0.325 4.355 4.740 -0.101 0.000 0.187 71 N C -0.278 175.094 175.510 -0.230 0.000 1.016 71 N CA 2.391 55.364 53.050 -0.128 0.000 0.879 71 N CB 0.102 38.537 38.487 -0.087 0.000 0.965 71 N HN 0.724 9.043 8.380 -0.101 0.000 0.438 72 S N -4.919 110.592 115.700 -0.314 0.000 3.004 72 S HA 0.040 4.222 4.470 -0.480 0.000 0.244 72 S C -2.275 172.106 174.600 -0.366 0.000 0.870 72 S CA -0.232 57.643 58.200 -0.542 0.000 1.267 72 S CB 1.325 63.749 63.200 -1.292 0.000 1.208 72 S HN -0.281 7.845 8.310 -0.243 0.038 0.624 73 A N 0.830 123.509 122.820 -0.235 0.000 2.312 73 A HA 0.480 4.852 4.320 -0.113 -0.120 0.326 73 A C -1.603 175.966 177.584 -0.025 0.000 1.172 73 A CA -1.266 50.673 52.037 -0.163 0.000 0.821 73 A CB 1.844 20.633 19.000 -0.352 0.000 1.166 73 A HN -0.699 7.170 8.150 -0.228 0.144 0.493 74 S N 0.960 116.732 115.700 0.120 0.000 2.535 74 S HA 0.311 4.893 4.470 0.187 0.000 0.272 74 S C -1.009 173.654 174.600 0.106 0.000 1.149 74 S CA -0.805 57.473 58.200 0.129 0.000 0.888 74 S CB 2.404 65.609 63.200 0.009 0.000 1.110 74 S HN 0.610 8.872 8.310 0.116 0.118 0.463 75 L N 5.834 127.039 121.223 -0.029 0.000 2.540 75 L HA -0.139 4.189 4.340 -0.272 -0.152 0.276 75 L C 0.216 177.042 176.870 -0.074 0.000 1.212 75 L CA 1.484 56.229 54.840 -0.159 0.000 0.893 75 L CB -0.047 41.881 42.059 -0.218 0.000 1.138 75 L HN 0.492 8.692 8.230 -0.050 0.000 0.491 76 K N 5.948 126.307 120.400 -0.069 0.000 2.063 76 K HA -0.110 4.185 4.320 -0.042 0.000 0.204 76 K C 0.487 177.027 176.600 -0.100 0.000 1.039 76 K CA 0.814 57.066 56.287 -0.058 0.000 0.957 76 K CB 0.773 33.250 32.500 -0.039 0.000 0.764 76 K HN 0.170 8.367 8.250 -0.088 0.000 0.447 77 Q N -0.216 119.491 119.800 -0.156 0.000 2.340 77 Q HA 0.184 4.368 4.340 -0.259 0.000 0.249 77 Q C -1.501 174.371 176.000 -0.213 0.000 0.957 77 Q CA -2.312 53.307 55.803 -0.306 0.000 0.882 77 Q CB 0.238 28.516 28.738 -0.767 0.000 1.235 77 Q HN -0.319 7.877 8.270 -0.123 0.000 0.439 78 P HA 0.048 4.446 4.420 -0.037 0.000 0.286 78 P C -1.690 175.608 177.300 -0.003 0.000 1.577 78 P CA 0.720 63.770 63.100 -0.083 0.000 0.805 78 P CB -0.565 31.089 31.700 -0.077 0.000 1.706 79 Y N -4.852 115.484 120.300 0.061 0.000 2.274 79 Y HA -0.253 4.379 4.550 0.138 0.000 0.290 79 Y C 1.277 177.352 175.900 0.292 0.000 1.145 79 Y CA 0.593 58.781 58.100 0.147 0.000 1.203 79 Y CB -0.039 38.484 38.460 0.105 0.000 0.984 79 Y HN -0.862 7.160 8.280 -0.150 0.168 0.533 80 I N -2.195 118.580 120.570 0.342 0.000 2.055 80 I HA -0.317 4.324 4.170 0.786 0.000 0.228 80 I C 1.198 177.287 176.117 -0.047 0.000 1.050 80 I CA 1.990 63.483 61.300 0.323 0.000 1.326 80 I CB -0.274 37.800 38.000 0.124 0.000 1.077 80 I HN -0.891 7.399 8.210 0.206 0.043 0.392 81 T N -4.934 109.578 114.554 -0.070 0.000 11.216 81 T HA -0.388 3.908 4.350 -0.090 0.000 0.398 81 T C -1.146 173.455 174.700 -0.165 0.000 1.598 81 T CA 1.817 63.829 62.100 -0.148 0.000 2.576 81 T CB -0.259 68.474 68.868 -0.225 0.000 2.740 81 T HN -0.002 8.231 8.240 -0.012 0.000 0.942 82 Q N -3.510 116.174 119.800 -0.194 0.000 2.435 82 Q HA -0.387 3.921 4.340 -0.053 0.000 0.312 82 Q C -1.257 174.651 176.000 -0.153 0.000 1.333 82 Q CA 1.298 57.031 55.803 -0.116 0.000 0.883 82 Q CB -1.541 27.153 28.738 -0.074 0.000 1.170 82 Q HN -0.248 7.727 8.270 -0.248 0.146 0.443 83 N N -0.852 117.728 118.700 -0.201 0.000 3.039 83 N HA -0.046 4.565 4.740 -0.214 0.000 0.231 83 N C -0.960 174.350 175.510 -0.333 0.000 1.053 83 N CA 0.178 53.115 53.050 -0.188 0.000 1.191 83 N CB 1.602 40.059 38.487 -0.050 0.000 1.597 83 N HN 0.145 8.350 8.380 -0.282 0.006 0.585 84 Y N -0.906 119.347 120.300 -0.078 0.000 2.373 84 Y HA 0.123 4.711 4.550 0.064 0.000 0.327 84 Y C -0.838 175.067 175.900 0.008 0.000 1.036 84 Y CA -0.996 57.105 58.100 0.001 0.000 1.265 84 Y CB 1.122 39.586 38.460 0.006 0.000 1.108 84 Y HN -0.342 7.954 8.280 0.027 0.000 0.471 85 F N 5.085 125.160 119.950 0.208 0.000 2.444 85 F HA 0.335 4.948 4.527 0.144 0.000 0.360 85 F C -1.698 174.156 175.800 0.091 0.000 1.106 85 F CA -3.422 54.681 58.000 0.172 0.000 1.170 85 F CB 1.406 40.583 39.000 0.295 0.000 1.113 85 F HN 0.178 8.689 8.300 0.351 0.000 0.521 86 P HA -0.031 4.459 4.420 0.116 0.000 0.271 86 P C -1.538 175.769 177.300 0.012 0.000 1.216 86 P CA -0.261 62.919 63.100 0.132 0.000 0.771 86 P CB 0.900 32.663 31.700 0.105 0.000 0.864 87 V N 2.232 122.109 119.914 -0.062 0.000 2.506 87 V HA -0.386 3.534 4.120 -0.333 0.000 0.296 87 V C 0.896 176.875 176.094 -0.192 0.000 1.004 87 V CA 1.311 63.497 62.300 -0.190 0.000 1.150 87 V CB 0.368 32.105 31.823 -0.143 0.000 0.911 87 V HN 0.079 8.259 8.190 -0.017 0.000 0.476 88 G N 6.830 115.447 108.800 -0.306 0.000 2.614 88 G HA2 -0.123 3.725 3.960 -0.244 0.000 0.223 88 G HA3 -0.123 3.741 3.960 -0.160 0.000 0.223 88 G C -1.750 172.985 174.900 -0.275 0.000 1.171 88 G CA -0.416 44.538 45.100 -0.242 0.000 0.938 88 G HN 0.172 8.088 8.290 -0.473 0.091 0.561 89 T N 2.778 117.065 114.554 -0.445 0.000 3.011 89 T HA 0.132 4.289 4.350 -0.322 0.000 0.303 89 T C -1.665 172.793 174.700 -0.403 0.000 0.997 89 T CA -0.608 61.208 62.100 -0.474 0.000 1.007 89 T CB 2.495 70.850 68.868 -0.856 0.000 1.017 89 T HN -0.691 7.289 8.240 -0.559 -0.076 0.443 90 V N 7.603 127.328 119.914 -0.315 0.000 2.364 90 V HA 0.021 4.037 4.120 -0.174 0.000 0.272 90 V C -1.476 174.396 176.094 -0.370 0.000 1.036 90 V CA -0.023 62.122 62.300 -0.258 0.000 0.880 90 V CB 0.700 32.398 31.823 -0.208 0.000 0.991 90 V HN 0.393 8.399 8.190 -0.306 0.000 0.460 91 V N 6.908 126.688 119.914 -0.224 0.000 3.019 91 V HA 0.358 4.275 4.120 -0.339 0.000 0.317 91 V C -1.955 174.063 176.094 -0.126 0.000 1.094 91 V CA -3.477 58.709 62.300 -0.190 0.000 1.000 91 V CB 2.911 34.657 31.823 -0.129 0.000 1.060 91 V HN -0.132 7.878 8.190 -0.111 0.113 0.443 92 E N 1.835 122.066 120.200 0.051 0.000 2.244 92 E HA 0.678 5.236 4.350 -0.060 -0.243 0.266 92 E C -0.805 175.689 176.600 -0.176 0.000 0.914 92 E CA -2.101 54.295 56.400 -0.007 0.000 0.794 92 E CB 3.865 33.675 29.700 0.182 0.000 1.210 92 E HN 0.126 8.690 8.360 0.339 0.000 0.414 93 Y N 0.406 120.648 120.300 -0.097 0.000 2.409 93 Y HA 0.290 4.764 4.550 -0.127 0.000 0.339 93 Y C -1.823 174.032 175.900 -0.075 0.000 1.033 93 Y CA -0.928 57.088 58.100 -0.140 0.000 1.094 93 Y CB 3.037 41.322 38.460 -0.292 0.000 1.210 93 Y HN 0.276 8.585 8.280 0.048 0.000 0.456 94 E N 1.503 121.797 120.200 0.156 0.000 2.199 94 E HA 0.367 4.763 4.350 0.077 0.000 0.265 94 E C -1.308 175.332 176.600 0.067 0.000 0.882 94 E CA -2.389 54.060 56.400 0.082 0.000 0.759 94 E CB 3.552 33.273 29.700 0.034 0.000 1.148 94 E HN 0.491 8.846 8.360 0.201 0.127 0.412 95 c N 4.619 123.252 118.600 0.055 0.000 2.539 95 c HA 0.241 4.931 4.570 -0.032 -0.140 0.392 95 c C 0.618 174.730 174.090 0.037 0.000 1.269 95 c CA 0.342 56.688 56.329 0.029 0.000 2.250 95 c CB 0.017 42.578 42.510 0.085 0.000 2.584 95 c HN 0.721 8.992 8.230 0.069 0.000 0.589 96 R N 2.754 123.253 120.500 -0.002 0.000 2.707 96 R HA 0.196 4.542 4.340 0.010 0.000 0.270 96 R C -1.924 174.466 176.300 0.151 0.000 1.083 96 R CA -1.708 54.415 56.100 0.038 0.000 1.182 96 R CB -0.324 29.950 30.300 -0.043 0.000 1.084 96 R HN -0.150 8.043 8.270 -0.129 0.000 0.528 97 P HA -0.157 4.270 4.420 0.012 0.000 0.260 97 P C -0.152 177.110 177.300 -0.063 0.000 1.172 97 P CA 0.948 64.043 63.100 -0.007 0.000 0.760 97 P CB 0.014 31.674 31.700 -0.067 0.000 0.773 98 G N 0.844 109.595 108.800 -0.082 0.000 2.256 98 G HA2 -0.339 3.657 3.960 -0.142 0.000 0.272 98 G HA3 -0.339 3.409 3.960 -0.332 0.013 0.272 98 G C -1.481 173.142 174.900 -0.462 0.000 1.076 98 G CA 0.291 45.252 45.100 -0.231 0.000 0.882 98 G HN 0.443 8.716 8.290 -0.028 0.000 0.497 99 Y N -1.539 118.733 120.300 -0.047 0.000 2.534 99 Y HA 0.131 4.621 4.550 -0.024 0.046 0.345 99 Y C -2.523 173.375 175.900 -0.005 0.000 1.031 99 Y CA -1.681 56.402 58.100 -0.028 0.000 1.022 99 Y CB 4.431 42.869 38.460 -0.037 0.000 1.292 99 Y HN -0.659 7.682 8.280 0.102 0.000 0.459 100 R N -0.444 120.150 120.500 0.156 0.000 2.637 100 R HA 0.293 4.693 4.340 0.099 0.000 0.291 100 R C -0.798 175.569 176.300 0.111 0.000 0.963 100 R CA -1.974 54.189 56.100 0.106 0.000 0.901 100 R CB 2.610 32.947 30.300 0.062 0.000 1.160 100 R HN 0.274 8.746 8.270 0.160 -0.106 0.457 101 R N 2.026 122.585 120.500 0.098 0.000 2.822 101 R HA -0.099 4.502 4.340 0.107 -0.197 0.277 101 R C 0.504 176.840 176.300 0.060 0.000 1.102 101 R CA 0.222 56.382 56.100 0.100 0.000 1.207 101 R CB 0.617 30.997 30.300 0.134 0.000 1.139 101 R HN 0.280 8.606 8.270 0.093 0.000 0.557 102 E N -0.038 120.177 120.200 0.024 0.000 2.589 102 E HA -0.164 4.172 4.350 -0.024 0.000 0.266 102 E C -1.047 175.563 176.600 0.016 0.000 1.387 102 E CA -0.404 55.986 56.400 -0.018 0.000 1.155 102 E CB -0.843 28.795 29.700 -0.105 0.000 0.967 102 E HN -0.011 8.265 8.360 0.020 0.096 0.529 103 P HA -0.134 4.298 4.420 0.021 0.000 0.280 103 P C -1.420 175.901 177.300 0.036 0.000 1.359 103 P CA 0.460 63.571 63.100 0.017 0.000 0.744 103 P CB -0.277 31.426 31.700 0.005 0.000 1.236 104 S N -3.291 112.444 115.700 0.057 0.000 3.877 104 S HA -0.129 4.409 4.470 0.113 0.000 0.520 104 S C -1.302 173.352 174.600 0.090 0.000 0.778 104 S CA 0.564 58.814 58.200 0.084 0.000 1.362 104 S CB -0.867 62.373 63.200 0.066 0.000 0.850 104 S HN -0.355 7.821 8.310 0.055 0.167 0.695 105 L N -0.124 121.173 121.223 0.123 0.000 2.177 105 L HA 0.476 4.871 4.340 0.091 0.000 0.255 105 L C -1.110 175.865 176.870 0.176 0.000 1.065 105 L CA -1.985 52.925 54.840 0.118 0.000 0.982 105 L CB -0.736 41.371 42.059 0.080 0.000 1.559 105 L HN -0.590 7.735 8.230 0.158 0.000 0.492 106 S N -0.259 115.534 115.700 0.156 0.000 3.184 106 S HA -0.084 4.459 4.470 0.121 0.000 0.376 106 S C -0.809 173.946 174.600 0.258 0.000 1.163 106 S CA -0.415 57.884 58.200 0.165 0.000 1.314 106 S CB -0.716 62.565 63.200 0.134 0.000 0.962 106 S HN -0.071 8.310 8.310 0.118 0.000 0.543 107 P HA 0.195 4.598 4.420 -0.028 0.000 0.208 107 P C -2.395 174.886 177.300 -0.031 0.000 1.837 107 P CA -0.834 62.295 63.100 0.050 0.000 0.953 107 P CB -1.307 30.436 31.700 0.072 0.000 1.870 108 K N 1.857 122.268 120.400 0.018 0.000 2.478 108 K HA 0.383 4.845 4.320 -0.032 -0.162 0.236 108 K C -1.101 175.525 176.600 0.044 0.000 1.021 108 K CA -1.751 54.544 56.287 0.013 0.000 1.010 108 K CB 1.643 34.166 32.500 0.038 0.000 1.331 108 K HN -0.585 7.681 8.250 0.110 0.049 0.470 109 L N 9.361 130.588 121.223 0.007 0.000 2.375 109 L HA 0.264 4.732 4.340 0.214 0.000 0.276 109 L C -0.580 176.442 176.870 0.253 0.000 1.162 109 L CA -1.068 53.855 54.840 0.138 0.000 0.991 109 L CB -1.109 40.934 42.059 -0.026 0.000 1.315 109 L HN 0.091 8.261 8.230 -0.101 0.000 0.431 110 T N 6.984 121.619 114.554 0.136 0.000 2.907 110 T HA 0.164 4.664 4.350 -0.151 -0.241 0.298 110 T C -0.730 173.774 174.700 -0.327 0.000 1.017 110 T CA 1.112 63.165 62.100 -0.079 0.000 1.118 110 T CB 0.841 69.638 68.868 -0.119 0.000 0.948 110 T HN 0.135 8.444 8.240 0.116 0.000 0.531 111 c N 8.369 126.298 118.600 -1.120 0.000 2.416 111 c HA 0.092 3.401 4.570 -2.102 0.000 0.355 111 c C -0.256 173.398 174.090 -0.727 0.000 1.211 111 c CA 0.542 55.882 56.329 -1.648 0.000 1.699 111 c CB -2.087 39.266 42.510 -1.929 0.000 2.310 111 c HN 0.635 8.218 8.230 -0.976 0.062 0.539 112 L N 6.911 127.840 121.223 -0.491 0.000 2.080 112 L HA -0.095 4.107 4.340 -0.229 0.000 0.209 112 L C -0.088 176.662 176.870 -0.199 0.000 1.178 112 L CA 2.456 57.146 54.840 -0.250 0.000 1.430 112 L CB 0.713 42.692 42.059 -0.134 0.000 1.236 112 L HN 0.496 8.406 8.230 -0.534 0.000 0.736 113 Q N -5.796 113.925 119.800 -0.132 0.000 2.471 113 Q HA 0.012 4.295 4.340 -0.095 0.000 0.259 113 Q C -0.504 175.458 176.000 -0.063 0.000 0.850 113 Q CA 1.304 57.055 55.803 -0.087 0.000 0.981 113 Q CB 1.559 30.264 28.738 -0.054 0.000 1.180 113 Q HN 0.153 8.356 8.270 -0.112 0.000 0.571 114 N N -0.180 118.490 118.700 -0.051 0.000 2.699 114 N HA -0.011 4.729 4.740 -0.001 0.000 0.317 114 N C -1.026 174.487 175.510 0.005 0.000 1.661 114 N CA -0.680 52.364 53.050 -0.010 0.000 0.979 114 N CB -0.504 37.987 38.487 0.006 0.000 1.329 114 N HN -0.189 8.153 8.380 -0.065 0.000 0.497 115 L N -2.470 118.741 121.223 -0.020 0.000 4.472 115 L HA -0.414 3.842 4.340 -0.138 0.000 0.513 115 L C -0.111 176.789 176.870 0.050 0.000 0.997 115 L CA 0.882 55.712 54.840 -0.017 0.000 0.721 115 L CB -2.689 39.414 42.059 0.074 0.000 1.729 115 L HN -0.139 8.072 8.230 -0.033 0.000 0.787 116 K N 0.087 120.487 120.400 0.001 0.000 2.499 116 K HA 0.042 4.462 4.320 0.166 0.000 0.215 116 K C -0.510 176.144 176.600 0.091 0.000 1.041 116 K CA -1.629 54.709 56.287 0.085 0.000 1.031 116 K CB -0.355 32.178 32.500 0.055 0.000 1.479 116 K HN -0.355 7.908 8.250 -0.064 -0.053 0.518 117 W N 2.927 124.229 121.300 0.003 0.000 2.456 117 W HA -0.305 4.497 4.660 -0.036 -0.163 0.343 117 W C 1.245 177.770 176.519 0.009 0.000 1.211 117 W CA 1.642 58.980 57.345 -0.011 0.000 1.353 117 W CB -0.087 29.364 29.460 -0.014 0.000 1.189 117 W HN 0.044 8.544 8.180 0.533 0.000 0.587 118 S N 2.097 117.922 115.700 0.210 0.000 2.081 118 S HA -0.106 4.406 4.470 0.070 0.000 0.167 118 S C 0.480 175.174 174.600 0.156 0.000 1.409 118 S CA 0.745 59.017 58.200 0.120 0.000 2.079 118 S CB 0.767 64.013 63.200 0.076 0.000 0.384 118 S HN 0.659 9.004 8.310 0.239 0.109 0.360 119 T N -2.478 112.169 114.554 0.155 0.000 2.918 119 T HA -0.092 4.339 4.350 0.136 0.000 0.302 119 T C -1.379 173.482 174.700 0.268 0.000 1.045 119 T CA 0.616 62.822 62.100 0.177 0.000 1.114 119 T CB 0.516 69.485 68.868 0.169 0.000 0.965 119 T HN 0.021 8.343 8.240 0.137 0.000 0.540 120 A N 3.604 126.569 122.820 0.242 0.000 2.604 120 A HA 0.261 4.935 4.320 0.589 0.000 0.285 120 A C -1.105 176.570 177.584 0.152 0.000 1.095 120 A CA 0.019 52.244 52.037 0.313 0.000 0.842 120 A CB 1.087 20.210 19.000 0.207 0.000 1.385 120 A HN -0.143 8.103 8.150 0.160 0.000 0.404 121 V N 1.113 121.032 119.914 0.010 0.000 2.906 121 V HA 0.190 4.231 4.120 -0.132 0.000 0.221 121 V C 0.339 176.268 176.094 -0.275 0.000 1.147 121 V CA 0.210 62.351 62.300 -0.265 0.000 1.235 121 V CB 1.400 32.907 31.823 -0.527 0.000 1.000 121 V HN -0.114 8.177 8.190 0.169 0.000 0.510 122 E N -3.825 116.067 120.200 -0.514 0.000 2.626 122 E HA 0.079 4.346 4.350 -0.137 0.000 0.345 122 E C -0.804 175.632 176.600 -0.274 0.000 1.060 122 E CA -0.061 56.179 56.400 -0.267 0.000 0.808 122 E CB 0.101 29.695 29.700 -0.178 0.000 1.366 122 E HN -0.540 7.349 8.360 -1.086 -0.181 0.399 123 F N -0.754 119.099 119.950 -0.162 0.000 2.695 123 F HA 0.031 4.631 4.527 -0.069 -0.115 0.301 123 F C -0.604 175.139 175.800 -0.095 0.000 1.182 123 F CA 0.414 58.340 58.000 -0.124 0.000 1.412 123 F CB -0.912 37.988 39.000 -0.166 0.000 1.056 123 F HN -0.178 8.271 8.300 0.248 0.000 0.522 124 c N -3.855 114.770 118.600 0.041 0.000 3.285 124 c HA 0.200 4.861 4.570 0.094 -0.035 0.320 124 c C -1.500 172.639 174.090 0.081 0.000 1.411 124 c CA -1.328 55.032 56.329 0.052 0.000 1.429 124 c CB 3.736 46.212 42.510 -0.057 0.000 1.812 124 c HN -0.287 7.806 8.230 -0.012 0.130 0.454 125 K N -0.295 120.228 120.400 0.205 0.000 2.850 125 K HA 0.205 4.607 4.320 0.136 0.000 0.262 125 K C -1.665 175.113 176.600 0.296 0.000 2.026 125 K CA -0.483 55.917 56.287 0.187 0.000 1.108 125 K CB 2.452 35.006 32.500 0.090 0.000 2.419 125 K HN 0.200 8.630 8.250 0.300 0.000 0.398 126 K N -2.741 117.711 120.400 0.087 0.000 2.712 126 K HA 0.049 4.128 4.320 -0.610 -0.126 0.274 126 K C -1.870 174.622 176.600 -0.180 0.000 1.025 126 K CA -0.489 55.639 56.287 -0.264 0.000 0.904 126 K CB 1.963 34.255 32.500 -0.345 0.000 1.392 126 K HN -0.177 8.113 8.250 0.067 0.000 0.392 127 K N 4.409 124.659 120.400 -0.249 0.000 2.473 127 K HA 0.223 4.504 4.320 -0.065 0.000 0.246 127 K C -1.147 175.389 176.600 -0.107 0.000 1.011 127 K CA -1.054 55.165 56.287 -0.113 0.000 0.984 127 K CB 0.853 33.322 32.500 -0.050 0.000 1.250 127 K HN 0.431 8.300 8.250 -0.432 0.122 0.454 128 S N 1.761 117.427 115.700 -0.056 0.000 2.652 128 S HA 0.088 4.568 4.470 0.016 0.000 0.270 128 S C 0.021 174.665 174.600 0.072 0.000 1.243 128 S CA -1.426 56.781 58.200 0.011 0.000 0.999 128 S CB 0.614 63.825 63.200 0.019 0.000 0.973 128 S HN -0.017 8.263 8.310 -0.050 0.000 0.544 129 c N 1.728 120.403 118.600 0.126 0.000 2.633 129 c HA 0.070 4.766 4.570 0.209 0.000 0.415 129 c C -0.629 173.589 174.090 0.213 0.000 1.393 129 c CA 0.626 57.085 56.329 0.217 0.000 1.700 129 c CB -0.979 41.715 42.510 0.306 0.000 2.541 129 c HN 0.524 8.805 8.230 0.122 0.022 0.603 130 P HA 0.010 4.481 4.420 0.086 0.000 0.209 130 P C -1.482 175.863 177.300 0.074 0.000 1.843 130 P CA -1.229 61.936 63.100 0.108 0.000 0.985 130 P CB -1.562 30.185 31.700 0.079 0.000 1.904 131 N N 1.089 119.841 118.700 0.087 0.000 4.066 131 N HA -0.172 4.557 4.740 -0.018 0.000 0.315 131 N C -1.231 174.123 175.510 -0.260 0.000 2.196 131 N CA 0.472 53.496 53.050 -0.043 0.000 2.981 131 N CB 0.440 38.896 38.487 -0.052 0.000 0.306 131 N HN -0.607 7.802 8.380 0.158 0.066 0.757 132 P HA -0.011 3.418 4.420 -1.652 0.000 0.244 132 P C -0.588 176.369 177.300 -0.572 0.000 1.211 132 P CA -0.015 62.335 63.100 -1.250 0.000 0.760 132 P CB 0.485 31.002 31.700 -1.972 0.000 0.961 133 G N -0.978 107.626 108.800 -0.327 0.000 2.598 133 G HA2 -0.344 3.533 3.960 -0.138 0.000 0.244 133 G HA3 -0.344 3.512 3.960 -0.173 0.000 0.244 133 G C -2.127 172.681 174.900 -0.153 0.000 1.302 133 G CA -0.439 44.547 45.100 -0.189 0.000 0.903 133 G HN -0.457 7.646 8.290 -0.294 0.010 0.575 134 E N 0.124 120.260 120.200 -0.107 0.000 2.210 134 E HA 0.298 4.609 4.350 -0.065 0.000 0.266 134 E C -0.835 175.718 176.600 -0.079 0.000 0.883 134 E CA -1.646 54.709 56.400 -0.076 0.000 0.761 134 E CB 1.613 31.277 29.700 -0.061 0.000 1.156 134 E HN 0.156 8.455 8.360 -0.102 0.000 0.412 135 I N 4.826 125.361 120.570 -0.058 0.000 2.251 135 I HA -0.121 3.949 4.170 -0.167 0.000 0.153 135 I C -0.939 175.114 176.117 -0.107 0.000 1.440 135 I CA 0.716 61.949 61.300 -0.112 0.000 0.629 135 I CB 0.842 38.781 38.000 -0.102 0.000 1.865 135 I HN 0.270 8.473 8.210 -0.011 0.000 1.084 136 R N -2.010 118.418 120.500 -0.120 0.000 2.647 136 R HA 0.086 4.360 4.340 -0.111 0.000 0.260 136 R C -1.978 174.217 176.300 -0.175 0.000 1.154 136 R CA -0.358 55.661 56.100 -0.135 0.000 1.029 136 R CB 1.434 31.644 30.300 -0.150 0.000 1.262 136 R HN 0.185 8.385 8.270 -0.116 0.000 0.437 137 N N 0.368 118.962 118.700 -0.177 0.000 2.681 137 N HA -0.246 4.387 4.740 -0.179 0.000 0.259 137 N C -1.008 174.397 175.510 -0.175 0.000 1.066 137 N CA 0.476 53.363 53.050 -0.272 0.000 0.717 137 N CB -0.449 37.659 38.487 -0.632 0.000 0.885 137 N HN 0.576 8.879 8.380 -0.129 0.000 0.547 138 G N -3.901 104.870 108.800 -0.049 0.000 2.292 138 G HA2 0.030 4.008 3.960 0.043 0.000 0.194 138 G HA3 0.030 4.032 3.960 -0.008 -0.047 0.194 138 G C -2.626 172.276 174.900 0.004 0.000 1.329 138 G CA -0.136 44.965 45.100 0.002 0.000 1.100 138 G HN -0.411 7.857 8.290 -0.037 0.000 0.470 139 Q N -3.166 116.647 119.800 0.022 0.000 3.083 139 Q HA 0.109 4.453 4.340 0.008 0.000 0.310 139 Q C -2.582 173.454 176.000 0.060 0.000 0.880 139 Q CA -0.614 55.203 55.803 0.023 0.000 0.809 139 Q CB 2.233 30.978 28.738 0.012 0.000 1.596 139 Q HN 0.352 8.557 8.270 0.039 0.088 0.487 140 I N -0.196 120.397 120.570 0.039 0.000 2.530 140 I HA 0.233 4.454 4.170 0.086 0.000 0.297 140 I C -1.224 174.877 176.117 -0.028 0.000 1.011 140 I CA -1.128 60.194 61.300 0.037 0.000 1.107 140 I CB 3.112 41.134 38.000 0.035 0.000 1.285 140 I HN 0.250 8.467 8.210 0.012 0.000 0.436 141 D N 7.850 128.211 120.400 -0.066 0.000 2.349 141 D HA 0.296 4.915 4.640 -0.035 0.000 0.232 141 D C -1.251 175.014 176.300 -0.058 0.000 1.071 141 D CA -0.395 53.572 54.000 -0.056 0.000 0.832 141 D CB 1.447 42.215 40.800 -0.055 0.000 1.086 141 D HN -0.153 8.151 8.370 -0.110 0.000 0.504 142 V N 0.558 120.453 119.914 -0.032 0.000 2.313 142 V HA 0.556 4.676 4.120 0.000 0.000 0.278 142 V C -1.469 174.623 176.094 -0.002 0.000 1.017 142 V CA -4.008 58.286 62.300 -0.009 0.000 0.823 142 V CB 0.605 32.427 31.823 -0.002 0.000 1.010 142 V HN 0.183 8.356 8.190 -0.027 0.000 0.443 143 P HA 0.015 4.431 4.420 -0.006 0.000 0.259 143 P C -0.528 176.774 177.300 0.004 0.000 1.307 143 P CA 0.232 63.331 63.100 -0.002 0.000 0.768 143 P CB -0.014 31.684 31.700 -0.004 0.000 1.199 144 G N -3.292 105.513 108.800 0.009 0.000 2.629 144 G HA2 0.066 4.032 3.960 0.009 0.000 0.154 144 G HA3 0.066 4.031 3.960 0.007 0.000 0.154 144 G C -0.272 174.638 174.900 0.017 0.000 1.077 144 G CA -0.495 44.611 45.100 0.010 0.000 0.831 144 G HN 0.361 8.515 8.290 0.011 0.143 0.495 145 G N -0.122 108.695 108.800 0.027 0.000 2.462 145 G HA2 -0.166 3.817 3.960 0.038 0.000 0.424 145 G HA3 -0.166 3.812 3.960 0.031 0.000 0.424 145 G C -2.368 172.572 174.900 0.067 0.000 1.573 145 G CA -0.226 44.898 45.100 0.039 0.000 0.913 145 G HN -0.480 7.827 8.290 0.028 0.000 0.672 146 I N 2.445 123.070 120.570 0.093 0.000 2.697 146 I HA 0.371 4.643 4.170 0.170 0.000 0.279 146 I C -1.159 175.038 176.117 0.133 0.000 1.171 146 I CA -1.587 59.812 61.300 0.164 0.000 1.135 146 I CB -0.718 37.434 38.000 0.253 0.000 1.445 146 I HN 0.234 8.489 8.210 0.076 0.000 0.541 147 L N 0.933 122.201 121.223 0.075 0.000 2.657 147 L HA 0.139 4.529 4.340 0.083 0.000 0.240 147 L C -0.218 176.680 176.870 0.048 0.000 1.151 147 L CA -1.155 53.726 54.840 0.068 0.000 0.831 147 L CB 1.198 43.291 42.059 0.057 0.000 1.539 147 L HN -0.505 7.755 8.230 0.051 0.000 0.511 148 F N -0.824 119.088 119.950 -0.062 0.000 2.602 148 F HA -0.278 4.178 4.527 -0.118 0.000 0.367 148 F C 1.383 177.122 175.800 -0.102 0.000 1.126 148 F CA 1.041 58.983 58.000 -0.096 0.000 1.321 148 F CB 0.646 39.588 39.000 -0.096 0.000 1.094 148 F HN -0.144 8.291 8.300 0.224 0.000 0.594 149 G N 2.734 110.899 108.800 -1.058 0.000 2.246 149 G HA2 -0.471 3.125 3.960 -0.796 0.000 0.273 149 G HA3 -0.471 2.652 3.960 -1.395 0.000 0.273 149 G C -1.548 173.043 174.900 -0.516 0.000 1.055 149 G CA -0.353 44.145 45.100 -1.004 0.000 0.851 149 G HN 0.288 8.185 8.290 -0.655 0.000 0.500 150 A N -1.616 120.960 122.820 -0.406 0.000 2.889 150 A HA 0.646 4.857 4.320 -0.181 0.000 0.235 150 A C -1.557 175.866 177.584 -0.269 0.000 1.307 150 A CA -1.807 50.087 52.037 -0.238 0.000 0.917 150 A CB 2.650 21.597 19.000 -0.087 0.000 1.546 150 A HN -0.738 7.130 8.150 -0.470 0.000 0.472 151 T N -3.235 111.290 114.554 -0.050 0.000 2.800 151 T HA 0.514 5.005 4.350 0.004 -0.138 0.327 151 T C -1.635 173.188 174.700 0.205 0.000 1.838 151 T CA 0.013 62.158 62.100 0.075 0.000 1.024 151 T CB 1.679 70.572 68.868 0.042 0.000 1.755 151 T HN 0.137 8.414 8.240 0.062 0.000 0.507 152 I N -3.892 116.746 120.570 0.114 0.000 3.322 152 I HA 0.866 5.100 4.170 -0.055 -0.097 0.313 152 I C -2.270 173.643 176.117 -0.340 0.000 1.129 152 I CA -2.796 58.431 61.300 -0.120 0.000 0.963 152 I CB 4.213 42.069 38.000 -0.239 0.000 1.273 152 I HN -0.033 8.244 8.210 0.111 0.000 0.473 153 S N -0.441 115.044 115.700 -0.358 0.000 2.594 153 S HA 0.365 4.649 4.470 -0.521 -0.126 0.296 153 S C -0.833 173.561 174.600 -0.344 0.000 1.124 153 S CA -1.197 56.774 58.200 -0.383 0.000 1.011 153 S CB 2.275 65.376 63.200 -0.164 0.000 1.016 153 S HN -0.276 7.882 8.310 -0.254 0.000 0.485 154 F N 4.123 124.048 119.950 -0.041 0.000 2.427 154 F HA 0.175 4.669 4.527 -0.056 0.000 0.352 154 F C 0.591 176.371 175.800 -0.034 0.000 1.100 154 F CA -0.137 57.834 58.000 -0.048 0.000 1.191 154 F CB 0.729 39.695 39.000 -0.057 0.000 1.128 154 F HN 0.467 8.471 8.300 -0.493 0.000 0.533 155 S N 2.641 118.431 115.700 0.151 0.000 2.707 155 S HA 0.374 4.895 4.470 0.085 0.000 0.303 155 S C -0.901 173.746 174.600 0.078 0.000 1.132 155 S CA -1.155 57.097 58.200 0.088 0.000 1.046 155 S CB 2.110 65.339 63.200 0.050 0.000 1.004 155 S HN 0.545 8.952 8.310 0.162 0.000 0.483 156 c N 6.029 124.677 118.600 0.080 0.000 2.553 156 c HA -0.016 4.658 4.570 0.035 -0.083 0.345 156 c C 0.235 174.402 174.090 0.129 0.000 1.369 156 c CA -0.153 56.227 56.329 0.084 0.000 2.447 156 c CB 0.086 42.669 42.510 0.120 0.000 2.358 156 c HN 0.566 8.845 8.230 0.082 0.000 0.676 157 N N 0.860 119.676 118.700 0.195 0.000 2.328 157 N HA 0.002 4.827 4.740 0.142 0.000 0.277 157 N C 0.080 175.752 175.510 0.271 0.000 1.286 157 N CA 0.193 53.388 53.050 0.240 0.000 0.949 157 N CB 1.013 39.668 38.487 0.280 0.000 1.136 157 N HN 0.459 8.847 8.380 0.148 0.081 0.550 158 T N 0.333 114.973 114.554 0.144 0.000 2.851 158 T HA -0.019 4.348 4.350 0.029 0.000 0.298 158 T C 0.835 175.425 174.700 -0.185 0.000 0.977 158 T CA 2.271 64.378 62.100 0.010 0.000 1.126 158 T CB -0.304 68.558 68.868 -0.011 0.000 0.916 158 T HN 0.157 8.480 8.240 0.140 0.000 0.529 159 G N 4.767 113.462 108.800 -0.176 0.000 2.195 159 G HA2 -0.311 3.553 3.960 -0.161 0.000 0.224 159 G HA3 -0.311 3.374 3.960 -0.459 0.000 0.224 159 G C -1.471 173.249 174.900 -0.299 0.000 0.990 159 G CA -0.117 44.802 45.100 -0.301 0.000 0.639 159 G HN 0.528 8.780 8.290 -0.064 0.000 0.514 160 Y N 0.024 120.359 120.300 0.059 0.000 2.453 160 Y HA 0.145 4.760 4.550 0.108 0.000 0.326 160 Y C -0.889 175.064 175.900 0.088 0.000 1.186 160 Y CA -1.390 56.761 58.100 0.084 0.000 1.200 160 Y CB 1.631 40.130 38.460 0.064 0.000 1.247 160 Y HN -0.853 7.368 8.280 0.012 0.067 0.482 161 K N 0.703 121.298 120.400 0.325 0.000 2.345 161 K HA 0.315 4.674 4.320 0.065 0.000 0.255 161 K C -1.301 175.350 176.600 0.084 0.000 0.934 161 K CA -1.752 54.625 56.287 0.150 0.000 0.801 161 K CB 2.943 35.534 32.500 0.152 0.000 1.137 161 K HN 0.142 8.519 8.250 0.437 0.135 0.424 162 L N 3.812 124.984 121.223 -0.085 0.000 2.530 162 L HA 0.007 4.537 4.340 0.015 -0.181 0.273 162 L C 0.039 176.736 176.870 -0.290 0.000 1.141 162 L CA 0.512 55.297 54.840 -0.092 0.000 0.905 162 L CB 0.136 42.161 42.059 -0.056 0.000 1.202 162 L HN 0.539 8.716 8.230 -0.088 0.000 0.473 163 F N 6.436 126.381 119.950 -0.008 0.000 2.389 163 F HA 0.168 4.692 4.527 -0.004 0.000 0.327 163 F C -0.937 174.839 175.800 -0.039 0.000 1.204 163 F CA -0.414 57.578 58.000 -0.014 0.000 1.209 163 F CB 0.070 39.068 39.000 -0.003 0.000 1.460 163 F HN -0.129 8.295 8.300 0.207 0.000 0.537 164 G N 0.640 109.470 108.800 0.050 0.000 4.286 164 G HA2 -0.061 3.921 3.960 0.038 0.000 0.204 164 G HA3 -0.061 3.864 3.960 -0.057 0.000 0.204 164 G C -1.751 173.151 174.900 0.004 0.000 1.218 164 G CA 0.705 45.808 45.100 0.004 0.000 1.010 164 G HN -0.190 8.100 8.290 -0.001 0.000 0.384 165 S N -1.943 113.766 115.700 0.014 0.000 2.611 165 S HA 0.147 4.666 4.470 0.082 0.000 0.270 165 S C -1.513 173.258 174.600 0.285 0.000 1.131 165 S CA -0.118 58.158 58.200 0.128 0.000 0.826 165 S CB 0.867 64.174 63.200 0.179 0.000 1.095 165 S HN -0.894 7.397 8.310 -0.033 0.000 0.461 166 T N -1.388 113.289 114.554 0.206 0.000 3.269 166 T HA 0.236 4.753 4.350 0.279 0.000 0.269 166 T C -1.436 173.246 174.700 -0.031 0.000 0.993 166 T CA -0.504 61.689 62.100 0.156 0.000 0.909 166 T CB -0.048 68.850 68.868 0.049 0.000 1.115 166 T HN 0.089 8.403 8.240 0.123 0.000 0.543 167 S N -0.983 114.647 115.700 -0.116 0.000 2.727 167 S HA 0.205 4.432 4.470 -0.740 -0.201 0.275 167 S C -1.956 172.401 174.600 -0.405 0.000 0.995 167 S CA 0.233 58.176 58.200 -0.428 0.000 0.893 167 S CB 1.284 64.360 63.200 -0.207 0.000 1.135 167 S HN -0.605 7.784 8.310 0.259 0.077 0.460 168 S N -1.488 113.915 115.700 -0.496 0.000 2.565 168 S HA 0.198 4.034 4.470 -1.057 0.000 0.269 168 S C -2.489 171.903 174.600 -0.347 0.000 1.153 168 S CA -0.558 57.361 58.200 -0.469 0.000 0.835 168 S CB 1.391 64.721 63.200 0.217 0.000 1.122 168 S HN -0.272 7.787 8.310 -0.419 0.000 0.462 169 F N 0.113 120.083 119.950 0.034 0.000 2.495 169 F HA 0.451 4.849 4.527 -0.444 -0.137 0.327 169 F C -0.586 174.602 175.800 -1.020 0.000 1.103 169 F CA -2.557 55.200 58.000 -0.406 0.000 0.949 169 F CB 1.644 40.500 39.000 -0.241 0.000 1.142 169 F HN 0.073 8.094 8.300 -0.465 0.000 0.457 170 c N 5.608 123.364 118.600 -1.406 0.000 2.442 170 c HA 0.249 3.706 4.570 -1.854 0.000 0.362 170 c C -1.289 172.464 174.090 -0.561 0.000 1.242 170 c CA -0.998 54.509 56.329 -1.369 0.000 1.741 170 c CB -1.588 40.273 42.510 -1.083 0.000 2.378 170 c HN 0.580 7.980 8.230 -1.152 0.140 0.549 171 L N 5.263 126.288 121.223 -0.330 0.000 2.365 171 L HA 0.628 4.911 4.340 -0.094 0.000 0.273 171 L C -0.854 176.039 176.870 0.038 0.000 1.000 171 L CA -1.289 53.495 54.840 -0.093 0.000 0.819 171 L CB 1.952 43.982 42.059 -0.048 0.000 1.284 171 L HN -0.100 7.914 8.230 -0.360 0.000 0.418 172 I N 0.890 121.582 120.570 0.204 0.000 4.312 172 I HA 0.130 4.524 4.170 0.091 -0.169 0.324 172 I C 1.313 177.480 176.117 0.083 0.000 1.298 172 I CA -0.381 61.006 61.300 0.145 0.000 1.231 172 I CB 0.658 38.746 38.000 0.146 0.000 1.152 172 I HN 0.464 8.896 8.210 0.370 0.000 0.421 173 S N 1.575 117.350 115.700 0.124 0.000 3.544 173 S HA -0.075 4.408 4.470 0.023 0.000 0.227 173 S C -0.253 174.375 174.600 0.047 0.000 1.387 173 S CA -0.039 58.201 58.200 0.066 0.000 1.182 173 S CB -1.626 61.635 63.200 0.102 0.000 1.243 173 S HN 0.036 8.489 8.310 0.237 0.000 0.467 174 G N 1.623 110.447 108.800 0.041 0.000 3.824 174 G HA2 0.104 4.079 3.960 0.025 0.000 0.198 174 G HA3 0.104 4.085 3.960 0.034 0.000 0.198 174 G C -0.735 174.184 174.900 0.032 0.000 1.400 174 G CA 0.897 46.016 45.100 0.032 0.000 0.912 174 G HN 0.146 8.357 8.290 0.044 0.105 0.638 175 S N 1.778 117.502 115.700 0.040 0.000 2.835 175 S HA 0.197 4.687 4.470 0.034 0.000 0.248 175 S C -0.515 174.113 174.600 0.046 0.000 1.070 175 S CA -0.456 57.769 58.200 0.040 0.000 1.090 175 S CB -0.101 63.126 63.200 0.045 0.000 0.978 175 S HN -0.196 8.141 8.310 0.046 0.000 0.510 176 S N -0.696 115.029 115.700 0.042 0.000 3.756 176 S HA -0.369 4.120 4.470 0.033 0.000 0.640 176 S C -1.550 173.086 174.600 0.060 0.000 2.059 176 S CA 0.594 58.820 58.200 0.043 0.000 2.224 176 S CB -0.291 62.934 63.200 0.042 0.000 0.327 176 S HN -0.531 7.802 8.310 0.037 0.000 1.789 177 V N -3.237 116.715 119.914 0.063 0.000 2.484 177 V HA -0.230 3.941 4.120 0.086 0.000 0.276 177 V C -0.974 175.198 176.094 0.129 0.000 0.976 177 V CA 1.788 64.143 62.300 0.091 0.000 1.141 177 V CB -0.501 31.377 31.823 0.093 0.000 0.975 177 V HN -0.015 8.204 8.190 0.049 0.000 0.466 178 Q N 6.975 126.854 119.800 0.131 0.000 2.482 178 Q HA 0.246 4.743 4.340 0.262 0.000 0.286 178 Q C -2.332 173.783 176.000 0.191 0.000 1.007 178 Q CA -1.353 54.566 55.803 0.193 0.000 0.801 178 Q CB 4.444 33.262 28.738 0.134 0.000 1.455 178 Q HN -0.289 8.028 8.270 0.077 0.000 0.398 179 W N 0.995 122.334 121.300 0.064 0.000 2.647 179 W HA 0.641 5.512 4.660 0.088 -0.158 0.353 179 W C 0.101 176.668 176.519 0.080 0.000 1.080 179 W CA -0.780 56.607 57.345 0.071 0.000 1.208 179 W CB 2.417 31.907 29.460 0.050 0.000 1.396 179 W HN 0.275 8.711 8.180 0.428 0.000 0.573 180 S N 1.312 117.198 115.700 0.311 0.000 2.317 180 S HA -0.196 4.397 4.470 0.205 0.000 0.212 180 S C -0.265 174.455 174.600 0.200 0.000 1.030 180 S CA 1.974 60.319 58.200 0.241 0.000 0.970 180 S CB 0.408 63.803 63.200 0.324 0.000 0.928 180 S HN 0.035 8.528 8.310 0.305 0.000 0.451 181 D N 0.243 120.756 120.400 0.188 0.000 2.464 181 D HA 0.391 5.092 4.640 0.101 0.000 0.243 181 D C -1.603 174.775 176.300 0.130 0.000 1.104 181 D CA -3.254 50.822 54.000 0.128 0.000 0.883 181 D CB 2.387 43.240 40.800 0.089 0.000 1.050 181 D HN -0.677 7.814 8.370 0.202 0.000 0.524 182 P HA -0.006 4.408 4.420 -0.010 0.000 0.327 182 P C -0.482 176.726 177.300 -0.153 0.000 1.342 182 P CA -0.786 62.301 63.100 -0.021 0.000 0.761 182 P CB 0.962 32.651 31.700 -0.017 0.000 1.675 183 L N -0.317 120.798 121.223 -0.181 0.000 2.737 183 L HA -0.147 3.967 4.340 -0.377 0.000 0.279 183 L C -1.042 175.646 176.870 -0.302 0.000 1.200 183 L CA -0.678 53.999 54.840 -0.272 0.000 0.952 183 L CB -1.840 40.112 42.059 -0.177 0.000 1.240 183 L HN 0.104 8.258 8.230 -0.127 0.000 0.486 184 P HA 0.064 4.345 4.420 -0.232 0.000 0.335 184 P C -1.594 175.588 177.300 -0.197 0.000 1.379 184 P CA -0.549 62.346 63.100 -0.341 0.000 0.794 184 P CB 0.826 32.229 31.700 -0.495 0.000 1.849 185 E N -3.966 116.168 120.200 -0.111 0.000 2.392 185 E HA 0.177 4.458 4.350 -0.115 0.000 0.269 185 E C -1.471 175.116 176.600 -0.021 0.000 0.924 185 E CA -1.556 54.806 56.400 -0.063 0.000 0.784 185 E CB 3.025 32.725 29.700 -0.000 0.000 1.292 185 E HN 0.029 8.342 8.360 -0.077 0.000 0.447 186 c N 0.942 119.509 118.600 -0.055 0.000 2.362 186 c HA 0.415 5.172 4.570 0.089 -0.134 0.309 186 c C -0.557 173.570 174.090 0.062 0.000 1.110 186 c CA -0.649 55.667 56.329 -0.022 0.000 1.485 186 c CB -1.161 41.220 42.510 -0.215 0.000 1.949 186 c HN 0.566 8.731 8.230 -0.110 0.000 0.419 187 R N 3.425 124.106 120.500 0.301 0.000 2.246 187 R HA 0.229 4.684 4.340 0.192 0.000 0.332 187 R C -0.641 175.905 176.300 0.411 0.000 0.974 187 R CA -2.821 53.451 56.100 0.288 0.000 0.837 187 R CB 0.643 31.004 30.300 0.102 0.000 1.145 187 R HN 0.677 9.204 8.270 0.430 0.000 0.467 188 E N 7.021 127.479 120.200 0.431 0.000 2.351 188 E HA -0.133 4.516 4.350 0.247 -0.151 0.266 188 E C -1.143 175.571 176.600 0.189 0.000 1.031 188 E CA 0.489 57.046 56.400 0.263 0.000 0.911 188 E CB 0.412 30.161 29.700 0.082 0.000 0.986 188 E HN 0.470 9.103 8.360 0.455 0.000 0.446 189 H N 0.000 119.131 119.070 0.102 0.000 2.539 189 H HA 0.000 4.586 4.556 0.051 0.000 0.296 189 H CA 0.000 56.097 56.048 0.082 0.000 1.023 189 H CB 0.000 29.860 29.762 0.163 0.000 1.292 189 H HN 0.000 8.434 8.280 0.257 0.000 0.496